bugfix

deepmodeling · Apr 13, 2022 · c4a35ff · c4a35ff
1 parent 663edab
commit c4a35ff
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/dpgen/generator/run.py b/dpgen/generator/run.py
@@ -1481,7 +1481,7 @@ def run_model_devi (iter_index,
             "TASK=$(basename $(pwd)) && "
             "SYS1=${TASK:5:3} && "
             "SYS=$((10#$SYS1)) && "
-        )+ lmp_exec + (
+        )+ model_devi_exec + (
             " -O -p ../qmmm$SYS.parm7 -c init.rst7 -i ../init$SYS.mdin -o rc.mdout -r rc.rst7 -x rc.nc -inf rc.mdinfo -ref init.rst7"
         )]
         forward_files = ['init.rst7', 'TEMPLATE.disang']